benzenesulfonate;cadmium(2+)

C12H10CdO6S2 — CID 22604243

IUPACbenzenesulfonate;cadmium(2+)
SMILESO=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Cd+2]
InChIInChI=1S/2C6H6O3S.Cd/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2
InChIKeyRXXNEDRIDAZJGY-UHFFFAOYSA-L
MW426.75 g/mol
LogP1.18
Rot. Bonds2

About benzenesulfonate;cadmium(2+)

benzenesulfonate;cadmium(2+) (PubChem CID 22604243) has the molecular formula C12H10CdO6S2 and a molecular weight of 426.75 g/mol. Its IUPAC name is benzenesulfonate;cadmium(2+).

Molecular Properties

Compound Namebenzenesulfonate;cadmium(2+)
PubChem CID22604243
Molecular FormulaC12H10CdO6S2
Molecular Weight426.75 g/mol
Exact Mass427.90
IUPAC Namebenzenesulfonate;cadmium(2+)
SMILESO=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Cd+2]
InChIInChI=1S/2C6H6O3S.Cd/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2
InChIKeyRXXNEDRIDAZJGY-UHFFFAOYSA-L
XLogP1.18
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.75
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;cadmium(2+)?
The IUPAC name of benzenesulfonate;cadmium(2+) (CID 22604243) is benzenesulfonate;cadmium(2+).
What is the SMILES notation for benzenesulfonate;cadmium(2+)?
The canonical SMILES for benzenesulfonate;cadmium(2+) is O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Cd+2].
What is the InChIKey of benzenesulfonate;cadmium(2+)?
The InChIKey is RXXNEDRIDAZJGY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O3S.Cd/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2.
What are the key properties of benzenesulfonate;cadmium(2+)?
benzenesulfonate;cadmium(2+) has a molecular weight of 426.75 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;cadmium(2+) is sourced from PubChem (CID 22604243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).